5-[(1H-苯并咪唑-1-基)甲基]苯-1,3-二羧酸
5-[(1H-Benzimidazol-1-yl)meth-yl]benzene-1,3-dicarb-oxy-lic acid.
作者信息
Cheng Xiao-Chun
机构信息
Faculty of Life Science and Chemical Engineering, Huaiyin Institute of Technology, Huaian 223003, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3299. doi: 10.1107/S1600536811047416. Epub 2011 Nov 12.
Crystals of the title compound, C(16)H(12)N(2)O(4), were obtained accidentally from a hydro-thermal reaction of 5-[(1H-benzimidazol-1-yl)meth-yl]isophthalic acid with manganese bromide in the presence of N,N'-dimethyl-formamide. In the title mol-ecule, the benzimidazole ring system is almost planar, with a maximum deviation from the mean plane of 0.010 (2) Å. The benzimidazole and central benzene rings are inclined at a dihedral angle of 71.7 (6)°. The crystal structure is stabilized by O-H⋯N and O-H⋯O hydrogen bonds.
标题化合物C(16)H(12)N(2)O(4)的晶体是在N,N'-二甲基甲酰胺存在下，5-[(1H-苯并咪唑-1-基)甲基]间苯二甲酸与溴化锰的水热反应中意外得到的。在标题分子中，苯并咪唑环系几乎是平面的，与平均平面的最大偏差为0.010 (2) Å。苯并咪唑环和中心苯环的二面角为71.7 (6)°。晶体结构通过O-H⋯N和O-H⋯O氢键得以稳定。
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